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79039-00-2 | Benzonitrile,3-[2-[4-[5-(methoxymethyl)-2-oxo-3-oxazolidinyl]phenyl]acetyl]-
CAS No: 79039-00-2 Catalog No: AG008N5V MDL No:
Product Description
Catalog Number:
AG008N5V
Chemical Name:
Benzonitrile,3-[2-[4-[5-(methoxymethyl)-2-oxo-3-oxazolidinyl]phenyl]acetyl]-
CAS Number:
79039-00-2
Molecular Formula:
C20H18N2O4
Molecular Weight:
350.3679
IUPAC Name:
3-[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]acetyl]benzonitrile
InChI:
InChI=1S/C20H18N2O4/c1-25-13-18-12-22(20(24)26-18)17-7-5-14(6-8-17)10-19(23)16-4-2-3-15(9-16)11-21/h2-9,18H,10,12-13H2,1H3
InChI Key:
JBFMPHGOVCPVFF-UHFFFAOYSA-N
SMILES:
COCC1OC(=O)N(C1)c1ccc(cc1)CC(=O)c1cccc(c1)C#N
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.127g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.374g/mol
Monoisotopic Mass:
350.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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